3-(benzimidazol-1-yl)-2-methylbenzoic acid

C15H12N2O2 — CID 70364781

IUPAC3-(benzimidazol-1-yl)-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1-n1cnc2ccccc21
InChIInChI=1S/C15H12N2O2/c1-10-11(15(18)19)5-4-8-13(10)17-9-16-12-6-2-3-7-14(12)17/h2-9H,1H3,(H,18,19)
InChIKeyIHDZUEKLBQHKMU-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.03
Rot. Bonds2

About 3-(benzimidazol-1-yl)-2-methylbenzoic acid

3-(benzimidazol-1-yl)-2-methylbenzoic acid (PubChem CID 70364781) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-2-methylbenzoic acid
PubChem CID70364781
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-(benzimidazol-1-yl)-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1-n1cnc2ccccc21
InChIInChI=1S/C15H12N2O2/c1-10-11(15(18)19)5-4-8-13(10)17-9-16-12-6-2-3-7-14(12)17/h2-9H,1H3,(H,18,19)
InChIKeyIHDZUEKLBQHKMU-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-2-methylbenzoic acid?
The IUPAC name of 3-(benzimidazol-1-yl)-2-methylbenzoic acid (CID 70364781) is 3-(benzimidazol-1-yl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(benzimidazol-1-yl)-2-methylbenzoic acid?
The canonical SMILES for 3-(benzimidazol-1-yl)-2-methylbenzoic acid is Cc1c(C(=O)O)cccc1-n1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-2-methylbenzoic acid?
The InChIKey is IHDZUEKLBQHKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-11(15(18)19)5-4-8-13(10)17-9-16-12-6-2-3-7-14(12)17/h2-9H,1H3,(H,18,19).
What are the key properties of 3-(benzimidazol-1-yl)-2-methylbenzoic acid?
3-(benzimidazol-1-yl)-2-methylbenzoic acid has a molecular weight of 252.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-2-methylbenzoic acid is sourced from PubChem (CID 70364781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).